(3-nitrophenyl) 3-(2-oxidanylidene-1,3-benzothiazol-3-yl)propanoate

Systemtic Name: (3-nitrophenyl) 3-(2-oxidanylidene-1,3-benzothiazol-3-yl)propanoate Openeye Name: (3-nitrophenyl) 3-(2-oxo-1,3-benzothiazol-3-yl)propanoate CAS Name: 3-(2-oxo-1,3-benzothiazol-3-yl)propanoic acid (3-nitrophenyl) ester IUPAC Name: (3-nitrophenyl) 3-(2-oxo-1,3-benzothiazol-3-yl)propanoate Traditional Name: 3-(2-keto-1,3-benzothiazol-3-yl)propionic acid (3-nitrophenyl) ester Formula: C16H12N2O5S MolecularWeight: 344.34188

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C(=O)S2)CCC(=O)OC3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N(C(=O)S2)CCC(=O)OC3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H12N2O5S/c19-15(23-12-5-3-4-11(10-12)18(21)22)8-9-17-13-6-1-2-7-14(13)24-16(17)20/h1-7,10H,8-9H2